CID 138046204

2248372-42-9

Structural Information

Molecular Formula

C₇H₁₁F₂N

SMILES

C1CC2(CC1N)CC2(F)F

InChI

InChI=1S/C7H11F2N/c8-7(9)4-6(7)2-1-5(10)3-6/h5H,1-4,10H2

InChIKey

IETTUUGZJRUQRN-UHFFFAOYSA-N

Compound name

2,2-difluorospiro[2.4]heptan-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 147.08595 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	148.09323	122.9
[M+Na]+	170.07517	133.2
[M-H]-	146.07867	127.1
[M+NH4]+	165.11977	144.7
[M+K]+	186.04911	131.2
[M+H-H2O]+	130.08321	117.9
[M+HCOO]-	192.08415	143.6
[M+CH3COO]-	206.09980	178.6
[M+Na-2H]-	168.06062	129.0
[M]+	147.08540	119.3
[M]-	147.08650	119.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe